2-(difluoromethylidene)-1,1,3,3,4,5,5,5-octafluoro-N-propyl-4-(trifluoromethyl)pentan-1-amine

C10H8F13N — CID 19761937

IUPAC2-(difluoromethylidene)-1,1,3,3,4,5,5,5-octafluoro-N-propyl-4-(trifluoromethyl)pentan-1-amine
SMILESCCCNC(F)(F)C(=C(F)F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H8F13N/c1-2-3-24-7(15,16)4(5(11)12)6(13,14)8(17,9(18,19)20)10(21,22)23/h24H,2-3H2,1H3
InChIKeyIHMOBYAMFRKJHX-UHFFFAOYSA-N
MW389.16 g/mol
LogP5.20
Rot. Bonds6

About 2-(difluoromethylidene)-1,1,3,3,4,5,5,5-octafluoro-N-propyl-4-(trifluoromethyl)pentan-1-amine

2-(difluoromethylidene)-1,1,3,3,4,5,5,5-octafluoro-N-propyl-4-(trifluoromethyl)pentan-1-amine (PubChem CID 19761937) has the molecular formula C10H8F13N and a molecular weight of 389.16 g/mol. Its IUPAC name is 2-(difluoromethylidene)-1,1,3,3,4,5,5,5-octafluoro-N-propyl-4-(trifluoromethyl)pentan-1-amine.

Molecular Properties

Compound Name2-(difluoromethylidene)-1,1,3,3,4,5,5,5-octafluoro-N-propyl-4-(trifluoromethyl)pentan-1-amine
PubChem CID19761937
Molecular FormulaC10H8F13N
Molecular Weight389.16 g/mol
Exact Mass389.04
IUPAC Name2-(difluoromethylidene)-1,1,3,3,4,5,5,5-octafluoro-N-propyl-4-(trifluoromethyl)pentan-1-amine
SMILESCCCNC(F)(F)C(=C(F)F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H8F13N/c1-2-3-24-7(15,16)4(5(11)12)6(13,14)8(17,9(18,19)20)10(21,22)23/h24H,2-3H2,1H3
InChIKeyIHMOBYAMFRKJHX-UHFFFAOYSA-N
XLogP5.20
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.16
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethylidene)-1,1,3,3,4,5,5,5-octafluoro-N-propyl-4-(trifluoromethyl)pentan-1-amine?
The IUPAC name of 2-(difluoromethylidene)-1,1,3,3,4,5,5,5-octafluoro-N-propyl-4-(trifluoromethyl)pentan-1-amine (CID 19761937) is 2-(difluoromethylidene)-1,1,3,3,4,5,5,5-octafluoro-N-propyl-4-(trifluoromethyl)pentan-1-amine.
What is the SMILES notation for 2-(difluoromethylidene)-1,1,3,3,4,5,5,5-octafluoro-N-propyl-4-(trifluoromethyl)pentan-1-amine?
The canonical SMILES for 2-(difluoromethylidene)-1,1,3,3,4,5,5,5-octafluoro-N-propyl-4-(trifluoromethyl)pentan-1-amine is CCCNC(F)(F)C(=C(F)F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 2-(difluoromethylidene)-1,1,3,3,4,5,5,5-octafluoro-N-propyl-4-(trifluoromethyl)pentan-1-amine?
The InChIKey is IHMOBYAMFRKJHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F13N/c1-2-3-24-7(15,16)4(5(11)12)6(13,14)8(17,9(18,19)20)10(21,22)23/h24H,2-3H2,1H3.
What are the key properties of 2-(difluoromethylidene)-1,1,3,3,4,5,5,5-octafluoro-N-propyl-4-(trifluoromethyl)pentan-1-amine?
2-(difluoromethylidene)-1,1,3,3,4,5,5,5-octafluoro-N-propyl-4-(trifluoromethyl)pentan-1-amine has a molecular weight of 389.16 g/mol, XLogP of 5.20, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethylidene)-1,1,3,3,4,5,5,5-octafluoro-N-propyl-4-(trifluoromethyl)pentan-1-amine is sourced from PubChem (CID 19761937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).